Geometry & MOs

Info

ID:	318496
PubChem CID:	126651534
Reduced:	BrFNC8H11 (1)
Stoich.:	ABCD8E11 (1)
Weight, g/mol:	488.13657
ΔH_f, kcal/mol:	-14.53
Dipole, Da:	2.43
IP(EA), eV:	-8.93(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-[2-[(3R)-4-(hydroxyamino)-3-methyl-3-methylsulfonyl-4-oxobutyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-6-yl]ethynyl]phenyl]methylcarbamic acid

Drug info:

PubChemData

Smile

CN1CCC(CC1)(C#CBr)F

DOS

IR

Vibrations